4-[1,3-bis(oxidanylidene)-2-pyridin-3-yl-isoindol-5-yl]sulfonylbenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-pyridin-3-yl-isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[1,3-dioxo-2-(3-pyridyl)isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[1,3-dioxo-2-(3-pyridinyl)-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)sulfonylbenzoate Traditional Name: 4-[1,3-diketo-2-(3-pyridyl)isoindolin-5-yl]sulfonylbenzoate Formula: C20H11N2O6S- MolecularWeight: 407.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H12N2O6S/c23-18-16-8-7-15(29(27,28)14-5-3-12(4-6-14)20(25)26)10-17(16)19(24)22(18)13-2-1-9-21-11-13/h1-11H,(H,25,26)/p-1